# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2022

data_2_pl
_audit_creation_date               2019-10-23
_audit_creation_method
;

;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C28 H14 Cl N O3, C H2 Cl2'
_chemical_formula_sum              'C29 H16 Cl3 N O3'
_chemical_formula_weight           532.78
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/n 1'
_space_group_name_Hall             '-P 2yn'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                     7.4936(15)
_cell_length_b                     24.222(5)
_cell_length_c                     13.519(3)
_cell_angle_alpha                  90
_cell_angle_beta                   101.90(3)
_cell_angle_gamma                  90
_cell_volume                       2401.1(9)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      10199
_cell_measurement_temperature      293(2)
_cell_measurement_theta_max        24.5
_cell_measurement_theta_min        2.3
_shelx_estimated_absorpt_T_max     0.921
_shelx_estimated_absorpt_T_min     0.819
_exptl_absorpt_coefficient_mu      0.416
_exptl_absorpt_correction_T_max    ?
_exptl_absorpt_correction_T_min    ?
_exptl_absorpt_correction_type     none
_exptl_absorpt_process_details     ?
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              orange
_exptl_crystal_colour_primary      orange
_exptl_crystal_density_diffrn      1.474
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      'not measured'
_exptl_crystal_description         prism
_exptl_crystal_F_000               1088
_exptl_crystal_size_max            0.5
_exptl_crystal_size_mid            0.3
_exptl_crystal_size_min            0.2
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0286
_diffrn_reflns_av_unetI/netI       0.0299
_diffrn_reflns_Laue_measured_fraction_full  0.957
_diffrn_reflns_Laue_measured_fraction_max  0.957
_diffrn_reflns_limit_h_max         8
_diffrn_reflns_limit_h_min         -8
_diffrn_reflns_limit_k_max         28
_diffrn_reflns_limit_k_min         0
_diffrn_reflns_limit_l_max         15
_diffrn_reflns_limit_l_min         0
_diffrn_reflns_number              10199
_diffrn_reflns_point_group_measured_fraction_full  0.957
_diffrn_reflns_point_group_measured_fraction_max  0.957
_diffrn_reflns_theta_full          24.499
_diffrn_reflns_theta_max           24.499
_diffrn_reflns_theta_min           2.280
_diffrn_ambient_temperature        293(2)
_diffrn_detector                   'image-plate detector'
_diffrn_detector_area_resol_mean   0.81
_diffrn_detector_type              MAR345-dtb
_diffrn_measured_fraction_theta_full  0.957
_diffrn_measured_fraction_theta_max  0.957
_diffrn_measurement_device         'one-circle diffractometer'
_diffrn_measurement_device_type    MAR345
_diffrn_measurement_method         'image-plate detector - phi oscillation'
_diffrn_radiation_monochromator    mirrors
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'fine-focus sealed tube'
_diffrn_source_target              Mo
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  3341
_reflns_number_total               3827
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'Automar software package (3.3a, 2015)'
_computing_data_collection         'MAR345 dtb Program (1.24-4, 2013)'
_computing_data_reduction          'Automar software package (3.3a, 2015)'
_computing_molecular_graphics      'DIAMOND (Brandenburg, 1999)'
_computing_publication_material    'PLATON (2018)'
_computing_structure_refinement    'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution      'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           0.577
_refine_diff_density_min           -0.561
_refine_diff_density_rms           0.074
_refine_ls_extinction_coef         0.0087(12)
_refine_ls_extinction_expression  
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_extinction_method       'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref     1.071
_refine_ls_hydrogen_treatment      mixed
_refine_ls_matrix_type             full
_refine_ls_number_parameters       334
_refine_ls_number_reflns           3827
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0775
_refine_ls_R_factor_gt             0.0695
_refine_ls_restrained_S_all        1.071
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0648P)²+4.0706P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1724
_refine_ls_wR_factor_ref           0.1770
_refine_special_details            ?
_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C7(H7), C8(H8), C10(H10), C12(H12), C13(H13), C16(H16), C17(H17),
 C18(H18), C19(H19), C21(H21), C23(H23), C24(H24), C28(H28)
;
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary       ?
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Cl1 Cl 0.33258(15) 0.10029(5) 0.01767(9) 0.0718(4) Uani 1 1 d . . . . .
 O1 O 0.8744(4) -0.10054(11) 0.3025(2) 0.0625(8) Uani 1 1 d . . . . .
 C1 C 0.8469(7) 0.07654(19) -0.0994(3) 0.0643(11) Uani 1 1 d . . . . .
 H1 H 0.951611 0.070491 -0.124698 0.077 Uiso 1 1 calc R U . . .
 O2 O 0.6604(3) 0.11157(9) 0.19446(17) 0.0454(6) Uani 1 1 d . . . . .
 C2 C 0.6627(5) 0.11536(14) 0.2941(3) 0.0419(8) Uani 1 1 d . . . . .
 C3 C 0.7839(5) -0.02155(13) 0.3832(3) 0.0409(8) Uani 1 1 d . . . . .
 O3 O 0.8673(4) -0.10801(10) 0.46462(19) 0.0514(6) Uani 1 1 d . . . . .
 C4 C 0.7527(4) 0.00202(14) 0.4750(3) 0.0403(8) Uani 1 1 d . . . . .
 C5 C 0.7477(4) 0.01838(13) 0.3072(2) 0.0392(7) Uani 1 1 d . . . . .
 C6 C 0.6982(5) 0.06391(14) 0.1484(3) 0.0429(8) Uani 1 1 d . . . . .
 C7 C 0.7494(5) -0.01576(16) 0.6591(3) 0.0495(9) Uani 1 1 d . . . . .
 H7 H 0.711281 0.020123 0.667840 0.059 Uiso 1 1 calc R U . . .
 C8 C 0.6995(7) 0.24910(18) 0.4358(4) 0.0760(14) Uani 1 1 d . . . . .
 H8 H 0.764565 0.264037 0.495894 0.091 Uiso 1 1 calc R U . . .
 C9 C 0.6905(5) 0.07282(14) 0.0396(3) 0.0449(8) Uani 1 1 d . . . . .
 C10 C 0.8451(6) 0.06412(16) 0.0002(3) 0.0552(10) Uani 1 1 d . . . . .
 H10 H 0.949411 0.049688 0.041585 0.066 Uiso 1 1 calc R U . . .
 C11 C 0.7000(4) 0.06901(13) 0.3527(3) 0.0395(7) Uani 1 1 d . . . . .
 C12 C 0.7462(5) 0.01761(14) 0.2034(3) 0.0434(8) Uani 1 1 d . . . . .
 H12 H 0.777630 -0.014299 0.172762 0.052 Uiso 1 1 calc R U . . .
 C13 C 0.5782(8) 0.28141(19) 0.3698(5) 0.0865(16) Uani 1 1 d . . . . .
 H13 H 0.559807 0.317973 0.386164 0.104 Uiso 1 1 calc R U . . .
 N1 N 0.5879(6) 0.11916(16) 0.5855(3) 0.0707(11) Uani 1 1 d . . . . .
 C14 C 0.7786(5) -0.03233(14) 0.5641(3) 0.0429(8) Uani 1 1 d . . . . .
 C15 C 0.5349(5) 0.09246(15) -0.0252(3) 0.0508(9) Uani 1 1 d . . . . .
 C16 C 0.4845(6) 0.26001(18) 0.2801(4) 0.0739(13) Uani 1 1 d . . . . .
 H16 H 0.403532 0.282104 0.235632 0.089 Uiso 1 1 calc R U . . .
 C17 C 0.7765(5) -0.05181(18) 0.7394(3) 0.0568(10) Uani 1 1 d . . . . .
 H17 H 0.757870 -0.040117 0.802057 0.068 Uiso 1 1 calc R U . . .
 C18 C 0.5103(6) 0.20593(16) 0.2559(3) 0.0582(10) Uani 1 1 d . . . . .
 H18 H 0.448109 0.191664 0.194564 0.070 Uiso 1 1 calc R U . . .
 C19 C 0.8590(6) -0.12348(16) 0.6347(3) 0.0570(10) Uani 1 1 d . . . . .
 H19 H 0.894370 -0.159707 0.626474 0.068 Uiso 1 1 calc R U . . .
 C20 C 0.6292(5) 0.17234(14) 0.3227(3) 0.0459(8) Uani 1 1 d . . . . .
 C21 C 0.5355(6) 0.10550(17) -0.1245(3) 0.0604(11) Uani 1 1 d . . . . .
 H21 H 0.430990 0.119277 -0.166652 0.073 Uiso 1 1 calc R U . . .
 C22 C 0.8334(5) -0.08684(15) 0.5543(3) 0.0464(8) Uani 1 1 d . . . . .
 C23 C 0.7241(6) 0.19450(16) 0.4125(3) 0.0558(10) Uani 1 1 d . . . . .
 H23 H 0.804885 0.172553 0.457291 0.067 Uiso 1 1 calc R U . . .
 C24 C 0.6936(7) 0.09780(18) -0.1606(3) 0.0652(12) Uani 1 1 d . . . . .
 H24 H 0.695802 0.107150 -0.227048 0.078 Uiso 1 1 calc R U . . .
 C25 C 0.7011(5) 0.05715(13) 0.4577(3) 0.0403(8) Uani 1 1 d . . . . .
 C26 C 0.8426(5) -0.07749(15) 0.3764(3) 0.0462(8) Uani 1 1 d . . . . .
 C27 C 0.6398(5) 0.09221(15) 0.5275(3) 0.0499(9) Uani 1 1 d . . . . .
 C28 C 0.8314(6) -0.10546(17) 0.7272(3) 0.0595(10) Uani 1 1 d . . . . .
 H28 H 0.849914 -0.129612 0.781798 0.071 Uiso 1 1 calc R U . . .
 Cl2 Cl 0.7895(3) -0.27218(9) 0.47648(18) 0.1488(9) Uani 1 1 d . . . . .
 Cl3 Cl 0.5125(3) -0.25405(11) 0.2954(2) 0.1669(11) Uani 1 1 d . . . . .
 C29 C 0.6719(10) -0.2255(3) 0.3915(7) 0.104(2) Uani 1 1 d . . . . .
 H29A H 0.596(14) -0.203(4) 0.422(7) 0.21(4) Uiso 1 1 d . . . . .
 H29B H 0.749(14) -0.205(4) 0.363(7) 0.18(4) Uiso 1 1 d . . . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Cl1 C15 1.741(4) . ?
 O1 C26 1.210(4) . ?
 C1 H1 0.9300 . ?
 C1 C10 1.383(6) . ?
 C1 C24 1.371(6) . ?
 O2 C2 1.347(4) . ?
 O2 C6 1.369(4) . ?
 C2 C11 1.369(5) . ?
 C2 C20 1.469(5) . ?
 C3 C4 1.428(5) . ?
 C3 C5 1.397(5) . ?
 C3 C26 1.433(5) . ?
 O3 C22 1.387(4) . ?
 O3 C26 1.383(4) . ?
 C4 C14 1.445(5) . ?
 C4 C25 1.397(5) . ?
 C5 C11 1.450(5) . ?
 C5 C12 1.400(5) . ?
 C6 C9 1.476(5) . ?
 C6 C12 1.353(5) . ?
 C7 H7 0.9300 . ?
 C7 C14 1.405(5) . ?
 C7 C17 1.375(5) . ?
 C8 H8 0.9300 . ?
 C8 C13 1.379(7) . ?
 C8 C23 1.381(6) . ?
 C9 C10 1.387(5) . ?
 C9 C15 1.390(5) . ?
 C10 H10 0.9300 . ?
 C11 C25 1.447(5) . ?
 C12 H12 0.9300 . ?
 C13 H13 0.9300 . ?
 C13 C16 1.372(7) . ?
 N1 C27 1.148(5) . ?
 C14 C22 1.397(5) . ?
 C15 C21 1.381(5) . ?
 C16 H16 0.9300 . ?
 C16 C18 1.373(6) . ?
 C17 H17 0.9300 . ?
 C17 C28 1.383(6) . ?
 C18 H18 0.9300 . ?
 C18 C20 1.393(5) . ?
 C19 H19 0.9300 . ?
 C19 C22 1.386(5) . ?
 C19 C28 1.379(6) . ?
 C20 C23 1.382(5) . ?
 C21 H21 0.9300 . ?
 C21 C24 1.383(6) . ?
 C23 H23 0.9300 . ?
 C24 H24 0.9300 . ?
 C25 C27 1.414(5) . ?
 C28 H28 0.9300 . ?
 Cl2 C29 1.720(8) . ?
 Cl3 C29 1.718(7) . ?
 C29 H29A 0.94(10) . ?
 C29 H29B 0.90(9) . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 C10 C1 H1 120.2 . . ?
 C24 C1 H1 120.2 . . ?
 C24 C1 C10 119.6(4) . . ?
 C2 O2 C6 123.5(3) . . ?
 O2 C2 C11 118.8(3) . . ?
 O2 C2 C20 111.1(3) . . ?
 C11 C2 C20 130.1(3) . . ?
 C4 C3 C26 122.8(3) . . ?
 C5 C3 C4 108.7(3) . . ?
 C5 C3 C26 128.5(3) . . ?
 C26 O3 C22 122.7(3) . . ?
 C3 C4 C14 118.5(3) . . ?
 C25 C4 C3 109.1(3) . . ?
 C25 C4 C14 132.4(3) . . ?
 C3 C5 C11 107.5(3) . . ?
 C3 C5 C12 133.5(3) . . ?
 C12 C5 C11 119.0(3) . . ?
 O2 C6 C9 111.1(3) . . ?
 C12 C6 O2 120.4(3) . . ?
 C12 C6 C9 128.4(3) . . ?
 C14 C7 H7 119.5 . . ?
 C17 C7 H7 119.5 . . ?
 C17 C7 C14 121.0(4) . . ?
 C13 C8 H8 120.1 . . ?
 C13 C8 C23 119.8(5) . . ?
 C23 C8 H8 120.1 . . ?
 C10 C9 C6 119.7(3) . . ?
 C10 C9 C15 118.0(3) . . ?
 C15 C9 C6 122.2(3) . . ?
 C1 C10 C9 121.1(4) . . ?
 C1 C10 H10 119.4 . . ?
 C9 C10 H10 119.4 . . ?
 C2 C11 C5 119.2(3) . . ?
 C2 C11 C25 133.6(3) . . ?
 C25 C11 C5 107.3(3) . . ?
 C5 C12 H12 120.5 . . ?
 C6 C12 C5 119.1(3) . . ?
 C6 C12 H12 120.5 . . ?
 C8 C13 H13 119.8 . . ?
 C16 C13 C8 120.5(4) . . ?
 C16 C13 H13 119.8 . . ?
 C7 C14 C4 125.4(3) . . ?
 C22 C14 C4 117.2(3) . . ?
 C22 C14 C7 117.5(3) . . ?
 C9 C15 Cl1 120.2(3) . . ?
 C21 C15 Cl1 118.4(3) . . ?
 C21 C15 C9 121.4(4) . . ?
 C13 C16 H16 120.0 . . ?
 C13 C16 C18 119.9(4) . . ?
 C18 C16 H16 120.0 . . ?
 C7 C17 H17 120.0 . . ?
 C7 C17 C28 120.0(4) . . ?
 C28 C17 H17 120.0 . . ?
 C16 C18 H18 119.8 . . ?
 C16 C18 C20 120.4(4) . . ?
 C20 C18 H18 119.8 . . ?
 C22 C19 H19 120.5 . . ?
 C28 C19 H19 120.5 . . ?
 C28 C19 C22 119.1(4) . . ?
 C18 C20 C2 120.0(3) . . ?
 C23 C20 C2 120.7(3) . . ?
 C23 C20 C18 119.2(4) . . ?
 C15 C21 H21 120.4 . . ?
 C15 C21 C24 119.1(4) . . ?
 C24 C21 H21 120.4 . . ?
 O3 C22 C14 122.9(3) . . ?
 C19 C22 O3 115.4(3) . . ?
 C19 C22 C14 121.8(3) . . ?
 C8 C23 C20 120.2(4) . . ?
 C8 C23 H23 119.9 . . ?
 C20 C23 H23 119.9 . . ?
 C1 C24 C21 120.7(4) . . ?
 C1 C24 H24 119.7 . . ?
 C21 C24 H24 119.7 . . ?
 C4 C25 C11 107.4(3) . . ?
 C4 C25 C27 125.4(3) . . ?
 C27 C25 C11 126.8(3) . . ?
 O1 C26 C3 127.2(3) . . ?
 O1 C26 O3 116.8(3) . . ?
 O3 C26 C3 115.9(3) . . ?
 N1 C27 C25 177.7(4) . . ?
 C17 C28 H28 119.7 . . ?
 C19 C28 C17 120.7(4) . . ?
 C19 C28 H28 119.7 . . ?
 Cl2 C29 H29A 111(6) . . ?
 Cl2 C29 H29B 111(6) . . ?
 Cl3 C29 Cl2 114.9(4) . . ?
 Cl3 C29 H29A 100(6) . . ?
 Cl3 C29 H29B 108(6) . . ?
 H29A C29 H29B 112(8) . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 Cl1 C15 C21 C24 -177.9(3) . . . . ?
 O2 C2 C11 C5 4.1(5) . . . . ?
 O2 C2 C11 C25 -174.9(3) . . . . ?
 O2 C2 C20 C18 34.9(5) . . . . ?
 O2 C2 C20 C23 -140.5(3) . . . . ?
 O2 C6 C9 C10 118.9(4) . . . . ?
 O2 C6 C9 C15 -57.8(4) . . . . ?
 O2 C6 C12 C5 3.1(5) . . . . ?
 C2 O2 C6 C9 -178.3(3) . . . . ?
 C2 O2 C6 C12 -2.0(5) . . . . ?
 C2 C11 C25 C4 -179.3(4) . . . . ?
 C2 C11 C25 C27 7.9(6) . . . . ?
 C2 C20 C23 C8 176.1(4) . . . . ?
 C3 C4 C14 C7 -178.4(3) . . . . ?
 C3 C4 C14 C22 0.1(5) . . . . ?
 C3 C4 C25 C11 -0.2(4) . . . . ?
 C3 C4 C25 C27 172.7(3) . . . . ?
 C3 C5 C11 C2 178.3(3) . . . . ?
 C3 C5 C11 C25 -2.5(4) . . . . ?
 C3 C5 C12 C6 177.7(4) . . . . ?
 C4 C3 C5 C11 2.4(4) . . . . ?
 C4 C3 C5 C12 -176.1(4) . . . . ?
 C4 C3 C26 O1 -179.0(4) . . . . ?
 C4 C3 C26 O3 0.2(5) . . . . ?
 C4 C14 C22 O3 1.7(5) . . . . ?
 C4 C14 C22 C19 -178.9(3) . . . . ?
 C5 C3 C4 C14 178.9(3) . . . . ?
 C5 C3 C4 C25 -1.4(4) . . . . ?
 C5 C3 C26 O1 1.1(6) . . . . ?
 C5 C3 C26 O3 -179.7(3) . . . . ?
 C5 C11 C25 C4 1.6(4) . . . . ?
 C5 C11 C25 C27 -171.1(3) . . . . ?
 C6 O2 C2 C11 -1.8(5) . . . . ?
 C6 O2 C2 C20 176.0(3) . . . . ?
 C6 C9 C10 C1 -174.5(4) . . . . ?
 C6 C9 C15 Cl1 -7.1(5) . . . . ?
 C6 C9 C15 C21 173.8(3) . . . . ?
 C7 C14 C22 O3 -179.7(3) . . . . ?
 C7 C14 C22 C19 -0.2(5) . . . . ?
 C7 C17 C28 C19 -0.2(6) . . . . ?
 C8 C13 C16 C18 0.5(8) . . . . ?
 C9 C6 C12 C5 178.7(3) . . . . ?
 C9 C15 C21 C24 1.2(6) . . . . ?
 C10 C1 C24 C21 -1.8(7) . . . . ?
 C10 C9 C15 Cl1 176.1(3) . . . . ?
 C10 C9 C15 C21 -3.0(6) . . . . ?
 C11 C2 C20 C18 -147.6(4) . . . . ?
 C11 C2 C20 C23 37.0(6) . . . . ?
 C11 C5 C12 C6 -0.7(5) . . . . ?
 C12 C5 C11 C2 -2.9(5) . . . . ?
 C12 C5 C11 C25 176.3(3) . . . . ?
 C12 C6 C9 C10 -57.0(5) . . . . ?
 C12 C6 C9 C15 126.3(4) . . . . ?
 C13 C8 C23 C20 0.7(7) . . . . ?
 C13 C16 C18 C20 1.0(7) . . . . ?
 C14 C4 C25 C11 179.5(3) . . . . ?
 C14 C4 C25 C27 -7.6(6) . . . . ?
 C14 C7 C17 C28 -0.7(6) . . . . ?
 C15 C9 C10 C1 2.4(6) . . . . ?
 C15 C21 C24 C1 1.2(6) . . . . ?
 C16 C18 C20 C2 -177.0(4) . . . . ?
 C16 C18 C20 C23 -1.6(6) . . . . ?
 C17 C7 C14 C4 179.4(3) . . . . ?
 C17 C7 C14 C22 0.9(5) . . . . ?
 C18 C20 C23 C8 0.7(6) . . . . ?
 C20 C2 C11 C5 -173.2(3) . . . . ?
 C20 C2 C11 C25 7.8(7) . . . . ?
 C22 O3 C26 O1 -179.1(3) . . . . ?
 C22 O3 C26 C3 1.6(5) . . . . ?
 C22 C19 C28 C17 0.9(6) . . . . ?
 C23 C8 C13 C16 -1.3(8) . . . . ?
 C24 C1 C10 C9 0.0(6) . . . . ?
 C25 C4 C14 C7 1.9(6) . . . . ?
 C25 C4 C14 C22 -179.5(4) . . . . ?
 C26 C3 C4 C14 -1.0(5) . . . . ?
 C26 C3 C4 C25 178.7(3) . . . . ?
 C26 C3 C5 C11 -177.7(3) . . . . ?
 C26 C3 C5 C12 3.8(6) . . . . ?
 C26 O3 C22 C14 -2.7(5) . . . . ?
 C26 O3 C22 C19 177.9(3) . . . . ?
 C28 C19 C22 O3 178.8(3) . . . . ?
 C28 C19 C22 C14 -0.6(6) . . . . ?
 
 # start Validation Reply Form
_vrf_PLAT029_2_pl
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.957 Why?  
RESPONSE: Although we covered 159 degree for this monoclinic crystal,
but due to geometrical limitations of the goniometer (one-circle),
we were not able to cover full data set.
;
# end Validation Reply Form

_submission_special_instructions  'No special instructions were received'
